methyl 4-chloranyl-3-nitro-5-propylsulfanyl-benzoate

Systemtic Name: methyl 4-chloranyl-3-nitro-5-propylsulfanyl-benzoate Openeye Name: methyl 4-chloro-3-nitro-5-propylsulfanyl-benzoate CAS Name: 4-chloro-3-nitro-5-(propylthio)benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-nitro-5-propylsulfanylbenzoate Traditional Name: 4-chloro-3-nitro-5-(propylthio)benzoic acid methyl ester Formula: C11H12ClNO4S MolecularWeight: 289.73528

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=CC(=C1Cl)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCSC1=CC(=CC(=C1Cl)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C11H12ClNO4S/c1-3-4-18-9-6-7(11(14)17-2)5-8(10(9)12)13(15)16/h5-6H,3-4H2,1-2H3